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BioLiP

PDB CCD ID: PEL
Number of entries in BioLiP: 15
Chemical formula: C8 H10 O
InChI: InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey: WRMNZCZEMHIOCP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCO
ACDLabs 10.04
CACTVS 3.341		OCCc1ccccc1
Name:2-PHENYL-ETHANOL
ChEMBL: CHEMBL448500
DrugBank: DB02192
ZINC: ZINC000000895934
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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